3-(cyclohexylmethyl)-5-(4-ethanoyl-1,4-diazepan-1-yl)-6-phenylazanyl-1H-benzimidazol-2-one

Systemtic Name: 3-(cyclohexylmethyl)-5-(4-ethanoyl-1,4-diazepan-1-yl)-6-phenylazanyl-1H-benzimidazol-2-one Openeye Name: 5-(4-acetyl-1,4-diazepan-1-yl)-6-anilino-3-(cyclohexylmethyl)-1H-benzimidazol-2-one CAS Name: 5-(4-acetyl-1,4-diazepan-1-yl)-6-anilino-3-(cyclohexylmethyl)-1H-benzimidazol-2-one IUPAC Name: 5-(4-acetyl-1,4-diazepan-1-yl)-6-anilino-3-(cyclohexylmethyl)-1H-benzimidazol-2-one Traditional Name: 5-(4-acetyl-1,4-diazepan-1-yl)-6-anilino-3-(cyclohexylmethyl)-1H-benzimidazol-2-one Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C27H35N5O2/c1-20(33)30-13-8-14-31(16-15-30)25-18-26-24(17-23(25)28-22-11-6-3-7-12-22)29-27(34)32(26)19-21-9-4-2-5-10-21/h3,6-7,11-12,17-18,21,28H,2,4-5,8-10,13-16,19H2,1H3,(H,29,34)